尹志 (2024-09-30 23:02):
#paper https://doi.org/10.48550/arXiv.2405.20328 mRNA secondary structure prediction using utility-scale quantum computers。 这是今年IBM和Moderna合作的一篇工作。作者用CVaR-based VQE算法对mRNA的二级结构做了预测。RNA由于其单链多变的特性,非常难以预测。当然也正是这个原因,在计算上很容易被归类到组合优化问题的范畴。因此利用量子计算机去设计特定算法来加速解决,并给出最优结构显得顺理成章。文章使用了IBM的量子处理器Eagle和Heron, 得出的结果和经典算法CPLEX保持一致。当然,考虑到使用了NISQ的方式,如何保证机器的校准及错误抑制文章并没有交代的很细致,默认Eagle和Heron已经做到了吧。当然,这也给VQC算法(包括VQE、QAOA)解决组合优化问题做了一个很好的示范,充分证明了变分算法的灵活性。
arXiv, 2024-05-30T17:58:17Z. DOI: 10.48550/arXiv.2405.20328
mRNA secondary structure prediction using utility-scale quantum computers
Dimitris Alevras, Mihir Metkar, Takahiro Yamamoto, Vaibhaw Kumar, Triet Friedhoff, Jae-Eun Park, Mitsuharu Takeori, Mariana LaDue, Wade Davis, Alexey Galda
Abstract:
Recent advancements in quantum computing have opened new avenues for tackling<br>long-standing complex combinatorial optimization problems that are intractable<br>for classical computers. Predicting secondary structure of mRNA is one such<br>notoriously difficult problem that can benefit from the ever-increasing<br>maturity of quantum computing technology. Accurate prediction of mRNA secondary<br>structure is critical in designing RNA-based therapeutics as it dictates<br>various steps of an mRNA life cycle, including transcription, translation, and<br>decay. The current generation of quantum computers have reached utility-scale,<br>allowing us to explore relatively large problem sizes. In this paper, we<br>examine the feasibility of solving mRNA secondary structures on a quantum<br>computer with sequence length up to 60 nucleotides representing problems in the<br>qubit range of 10 to 80. We use Conditional Value at Risk (CVaR)-based VQE<br>algorithm to solve the optimization problems, originating from the mRNA<br>structure prediction problem, on the IBM Eagle and Heron quantum processors. To<br>our encouragement, even with ``minimal'' error mitigation and fixed-depth<br>circuits, our hardware runs yield accurate predictions of minimum free energy<br>(MFE) structures that match the results of the classical solver CPLEX. Our<br>results provide sufficient evidence for the viability of solving mRNA structure<br>prediction problems on a quantum computer and motivate continued research in<br>this direction.
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